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CAS 944450-45-7 RuCl2[(R)-dm-segphos®][(R,R)-dpen] molecular structure lightbox
CAS RN: 944450-45-7

RuCl2[(R)-dm-segphos®][(R,R)-dpen]

  • Product code: SSC-209283
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 944450-45-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

944450-45-7 / [4-[5-bis(3,5-dimethylphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine

Standard CAS: 944450-45-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
944450-45-7
Multi CAS
Yes
Molecular Formula
C60H60CL2N2O4P2RU
Molecular Weight
1107.000000
Exact Mass
1106.244878
InChI
InChI=1S/C46H44O4P2.C14H16N2.2ClH.Ru/c1-27-13-28(2)18-35(17-27)51(36-19-29(3)14-30(4)20-36)41-11-9-39-45(49-25-47-39)43(41)44-42(12-10-40-46(44)50-26-48-40)52(37-21-31(5)15-32(6)22-37)38-23-33(7)16-34(8)24-38;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;;/h9-24H,25-26H2,1-8H3;1-10,13-14H,15-16H2;2*1H;/q;;;;+2/p-2/t;13-,14-;;;/m.1.../s1
InChIKey
FOEKPXQPRAIJRW-ODQAEMFESA-L

Computed Properties

Structural Parameters

Heavy atom count
71
Aromatic heavy atom count
48
Fraction Csp3
0.2
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
2
Molar refractivity
297.88
TPSA
88.96

LogP / Solubility

WLOGP
12.56
MLOGP
11.16
XLogP3
12.56
Consensus LogP
12.09
Log S (ESOL)
-14.46
Class (ESOL)
Insoluble
Log S (Ali)
-17.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.48
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.56

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5

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